4-[(1-oxo-1H-2-benzothiopyran-3-carbonyl)amino]phenyl thiocyanate
Chemical Structure Depiction of
4-[(1-oxo-1H-2-benzothiopyran-3-carbonyl)amino]phenyl thiocyanate
4-[(1-oxo-1H-2-benzothiopyran-3-carbonyl)amino]phenyl thiocyanate
Compound characteristics
| Compound ID: | D443-2444 |
| Compound Name: | 4-[(1-oxo-1H-2-benzothiopyran-3-carbonyl)amino]phenyl thiocyanate |
| Molecular Weight: | 338.4 |
| Molecular Formula: | C17 H10 N2 O2 S2 |
| Smiles: | C1=C(C(Nc2ccc(cc2)SC#N)=O)SC(c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8352 |
| logD: | 3.8352 |
| logSw: | -4.2758 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.119 |
| InChI Key: | JJPLVMNLRIVOOQ-UHFFFAOYSA-N |